SCHEMBL3056296

SCHEMBL3056296

CCN(CC)c1ncc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
RIPK1 Q13546 2/20 0.39
CNR2 P34972 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.36
BCL2A1 Q16548 1/20 0.36
GRIA2 P42262 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3064331 0.86 CACNA1H (0.45) POLBRIPK1CNR2MEN1KMT2A
SCHEMBL3058165 0.83 CNR2 (0.51) RIPK1CNR2LTB4R2BCL2A1KDM4E
Hydrochloric Acid SCHEMBL3053700 0.82 CNR2 (0.50) RIPK1CNR2LTB4R2BCL2A1KDM4E
Trifluoroacetic Acid SCHEMBL3054195 0.81 CACNA1H (0.42) POLBRIPK1CNR2MEN1KMT2A
SCHEMBL3066257 0.80 RIPK1 (0.39) POLBRIPK1MEN1KMT2ACYP3A4
SCHEMBL3054673 0.80 NR1H2 (0.41) POLBRIPK1CNR2CYP3A4LTB4R2
SCHEMBL3071604 0.79 BCL2A1 (0.44) POLBRIPK1MEN1KMT2ACYP3A4
SCHEMBL3056261 0.78 POLB (0.41) POLBRIPK1MEN1KMT2ACYP3A4
SCHEMBL8168504 0.78 HCAR3 (0.41) POLBRIPK1MEN1KMT2ACYP3A4
SCHEMBL3053088 0.77 KDM4E (0.46) POLBMEN1KMT2AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S POLB 4856/4885RIPK1 2974/4885CNR2 262/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.